4-(triazol-1-yl)benzenesulfonamide

C8H8N4O2S — CID 91619845

IUPAC4-(triazol-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C8H8N4O2S/c9-15(13,14)8-3-1-7(2-4-8)12-6-5-10-11-12/h1-6H,(H2,9,13,14)
InChIKeyUREHQCCGGMYPGW-UHFFFAOYSA-N
MW224.25 g/mol
LogP-0.09
Rot. Bonds2

About 4-(triazol-1-yl)benzenesulfonamide

4-(triazol-1-yl)benzenesulfonamide (PubChem CID 91619845) has the molecular formula C8H8N4O2S and a molecular weight of 224.25 g/mol. Its IUPAC name is 4-(triazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(triazol-1-yl)benzenesulfonamide
PubChem CID91619845
Molecular FormulaC8H8N4O2S
Molecular Weight224.25 g/mol
Exact Mass224.04
IUPAC Name4-(triazol-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C8H8N4O2S/c9-15(13,14)8-3-1-7(2-4-8)12-6-5-10-11-12/h1-6H,(H2,9,13,14)
InChIKeyUREHQCCGGMYPGW-UHFFFAOYSA-N
XLogP-0.09
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(triazol-1-yl)benzenesulfonamide?
The IUPAC name of 4-(triazol-1-yl)benzenesulfonamide (CID 91619845) is 4-(triazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-(triazol-1-yl)benzenesulfonamide?
The canonical SMILES for 4-(triazol-1-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-n2ccnn2)cc1.
What is the InChIKey of 4-(triazol-1-yl)benzenesulfonamide?
The InChIKey is UREHQCCGGMYPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2S/c9-15(13,14)8-3-1-7(2-4-8)12-6-5-10-11-12/h1-6H,(H2,9,13,14).
What are the key properties of 4-(triazol-1-yl)benzenesulfonamide?
4-(triazol-1-yl)benzenesulfonamide has a molecular weight of 224.25 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(triazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 91619845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).